1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol

C13H11ClF3NOS — CID 167556951

IUPAC1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)cc1CCc1cscn1)C(F)(F)F
InChIInChI=1S/C13H11ClF3NOS/c14-9-2-4-11(12(19)13(15,16)17)8(5-9)1-3-10-6-20-7-18-10/h2,4-7,12,19H,1,3H2
InChIKeyDDCXUYZWUGVVPN-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol

1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol (PubChem CID 167556951) has the molecular formula C13H11ClF3NOS and a molecular weight of 321.75 g/mol. Its IUPAC name is 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol
PubChem CID167556951
Molecular FormulaC13H11ClF3NOS
Molecular Weight321.75 g/mol
Exact Mass321.02
IUPAC Name1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(Cl)cc1CCc1cscn1)C(F)(F)F
InChIInChI=1S/C13H11ClF3NOS/c14-9-2-4-11(12(19)13(15,16)17)8(5-9)1-3-10-6-20-7-18-10/h2,4-7,12,19H,1,3H2
InChIKeyDDCXUYZWUGVVPN-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol with MolForge

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Related Compounds

1-(4-Chlorophenyl)-1-(4-methyl-5-thiazolyl)methanol
CID 22101856
Bis(4-chlorophenyl)-(1,3-thiazol-4-yl)methanol
CID 172450105
1-(4-Chlorophenyl)-2,2,2-trifluoro-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethanol
CID 117981457
(1S)-1-phenyl-3-(1,3-thiazol-4-yl)propan-1-ol
CID 138966234
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62797726
1-(2-Chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65855591
1-(3-Chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65855996
1-(4-Chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65856999
1-(3-Chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65857201
1-(2-Chloro-6-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65861096
1-(4-Chloro-3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 65862924
2-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol (CID 167556951) is 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol is OC(c1ccc(Cl)cc1CCc1cscn1)C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol?
The InChIKey is DDCXUYZWUGVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NOS/c14-9-2-4-11(12(19)13(15,16)17)8(5-9)1-3-10-6-20-7-18-10/h2,4-7,12,19H,1,3H2.
What are the key properties of 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol?
1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol has a molecular weight of 321.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[2-(1,3-thiazol-4-yl)ethyl]phenyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 167556951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).